CID 175686294

3-nonylphenyl octyl hydrogen phosphate

Structural Information

Molecular Formula
C23H41O4P
SMILES
CCCCCCCCCC1=CC(=CC=C1)OP(=O)(O)OCCCCCCCC
InChI
InChI=1S/C23H41O4P/c1-3-5-7-9-11-12-14-17-22-18-16-19-23(21-22)27-28(24,25)26-20-15-13-10-8-6-4-2/h16,18-19,21H,3-15,17,20H2,1-2H3,(H,24,25)
InChIKey
YPWLODZIAGBDOD-UHFFFAOYSA-N
Compound name
(3-nonylphenyl) octyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.27426 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.28154 212.7
[M+Na]+ 435.26348 214.3
[M-H]- 411.26698 211.3
[M+NH4]+ 430.30808 223.2
[M+K]+ 451.23742 210.1
[M+H-H2O]+ 395.27152 202.0
[M+HCOO]- 457.27246 235.4
[M+CH3COO]- 471.28811 226.5
[M+Na-2H]- 433.24893 209.3
[M]+ 412.27371 222.1
[M]- 412.27481 222.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.